Changeset 78f02c3 in sasview for src/sas/calculator/media/sld_calculator_help.rst
- Timestamp:
- Feb 14, 2015 10:12:40 AM (9 years ago)
- Branches:
- master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
- Children:
- 898a8b9
- Parents:
- 3e2ebbb
- File:
-
- 1 edited
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src/sas/calculator/media/sld_calculator_help.rst
r2dee849 r78f02c3 1 1 ..sld_calculator_help.rst 2 3 .. This is a port of the original SasView html help file to ReSTructured text 4 .. by S King, ISIS, during SasView CodeCamp-III in Feb 2015. 2 5 3 6 SLD Calculator Tool 4 7 =================== 5 8 6 Placeholder for SLD calculator help 9 Description 10 ----------- 11 12 The neutron scattering length density is defined as 13 14 SLD = (b_c1 +b_c2+...+b_cn )/Vm 15 16 where 17 18 b_ci is the bound coherent scattering length of ith of n atoms in a molecule 19 with the molecular volume Vm 20 21 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 22 23 How to Format the Compound Name 24 ------------------------------- 25 26 To calculate scattering length densities enter a compound and a mass density 27 and click "Calculate". Entering a wavelength value is optional (a default 28 value of 6.0 Angstroms will be used). 29 30 * Formula strings consist of counts and atoms such as "CaCO3+6H2O". 31 32 * Groups can be separated by *'+'* or *space*, so "CaCO3 6H2O" works as well. 33 34 * Groups and be defined using parentheses, such as "CaCO3(H2O)6". 35 36 * Parentheses can be nested, such as "(CaCO3(H2O)6)1". 37 38 * Isotopes are represented by their index, e.g., "CaCO[18]3+6H2O", H[1], or 39 H[2]. 40 41 * Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2". 42 43 * Other compositions can be calculated as well, for example, for a 70-30 44 mixture of H2O/D2O write *H14O7+ D6O3* or more simply *H7D3O5* (i.e. this says 45 7 hydrogens, 3 deuteriums, and 5 oxygens) and the mass density calculated 46 based on the percentages of H and D. 47 48 * Type *C[13]6 H[2]12 O[18]6* for C(13)6H(2)12O(18)6 (6 Carbon-13 atoms, 12 49 deuterium atoms, and 6 Oxygen-18 atoms)
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